| CAS Number | 7709-59-3 |
| Catalog Number | AG005QRB(AGN-PC-0KKOXF) |
| Chemical Name | 2-(1,3-Thiazol-4-yl)acetonitrile |
| IUPAC Name | 2-(1,3-thiazol-4-yl)acetonitrile |
| InChI | InChI=1S/C5H4N2S/c6-2-1-5-3-8-4-7-5/h3-4H,1H2 |
| InChI Key | LEHFKMSSKUSKIX-UHFFFAOYSA-N |
| MDL Number | MFCD02685630 |
| Molecular Formula | C5H4N2S |
| Molecular Weight | 124.1637 |
| SMILES | N#CCC1N=CSC=1 |
| Synonyms | 7709-59-3,
4-THIAZOLYLACETONITRILE,
2-(1,3-thiazol-4-yl)acetonitrile,
4-Thiazoleacetonitrile,
2-(thiazol-4-yl)acetonitrile,
thiazol-4-yl-acetonitrile,
AC1MC71V,
AC1Q4S1Y,
SCHEMBL3334955,
CTK2H6980,
DTXSID10376309,
ZINC2584053,
AKOS002662833,
MCULE-1035803057,
NE24037,
FT-0619522,
EN300-23754,
Z1407004093,
CID2762565,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.161g/mol |
| Monoisotopic Mass | 124.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H312-H315-H319-H332-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
|
Certificate of Analysis
Lot Number